ambit2.descriptors.constitutional

Class AtomCountHybridizationDescriptor

java.lang.Object

org.openscience.cdk.qsar.AbstractMolecularDescriptor

ambit2.descriptors.constitutional.AbstractAtomCountDescriptor

ambit2.descriptors.constitutional.AtomCountHybridizationDescriptor

All Implemented Interfaces:

org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor

public class AtomCountHybridizationDescriptor
extends AbstractAtomCountDescriptor

Atomistic topological indices. Todeschini , Handbook of Molecular descriptors, count descriptors, p.175.

Author:

Elena Urucheva, Nikolay Kochev Modified 2013-10-31

Field Summary

Fields inherited from class ambit2.descriptors.constitutional.AbstractAtomCountDescriptor

descriptorNames

Constructor Summary

Constructors

Constructor and Description
AtomCountHybridizationDescriptor()

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.qsar.DescriptorValue	calculateCounts(org.openscience.cdk.interfaces.IAtomContainer container)
org.openscience.cdk.qsar.result.IDescriptorResult	getDescriptorResultType()
org.openscience.cdk.qsar.DescriptorSpecification	getSpecification()

Methods inherited from class ambit2.descriptors.constitutional.AbstractAtomCountDescriptor

calculate, getDescriptorNames, getParameterNames, getParameters, getParameterType, initialise, setParameters

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

AtomCountHybridizationDescriptor

public AtomCountHybridizationDescriptor()

Method Detail

getSpecification

public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()

Specified by:

getSpecification in interface org.openscience.cdk.qsar.IDescriptor

Overrides:

getSpecification in class AbstractAtomCountDescriptor

calculateCounts

public org.openscience.cdk.qsar.DescriptorValue calculateCounts(org.openscience.cdk.interfaces.IAtomContainer container)

Specified by:

calculateCounts in class AbstractAtomCountDescriptor

getDescriptorResultType

public org.openscience.cdk.qsar.result.IDescriptorResult getDescriptorResultType()

Specified by:

getDescriptorResultType in interface org.openscience.cdk.qsar.IMolecularDescriptor

Overrides:

getDescriptorResultType in class AbstractAtomCountDescriptor